N-[(E)-1-bromanyl-3-oxidanylidene-3-piperidin-1-yl-1-pyridin-4-yl-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-bromanyl-3-oxidanylidene-3-piperidin-1-yl-1-pyridin-4-yl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-1-(piperidine-1-carbonyl)-2-(4-pyridyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-3-oxo-3-(1-piperidinyl)-1-pyridin-4-ylprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-1-(piperidine-1-carbonyl)-2-(4-pyridyl)vinyl]-4-nitro-benzamide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C(C2=CC=NC=C2)Br)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C(/C2=CC=NC=C2)\Br)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN4O4/c21-17(14-8-10-22-11-9-14)18(20(27)24-12-2-1-3-13-24)23-19(26)15-4-6-16(7-5-15)25(28)29/h4-11H,1-3,12-13H2,(H,23,26)/b18-17+